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This is the latest version of the ChemAxon Documentation.

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Name to Structure 17.02.06

Improvements

  • Generic structures now get assigned the type 'generic' even when imported from a common name, such as "ester", "fatty acid", ...

Name to Structure 17.01.30

Improvements

  • All character entities are now recognized in the USPTO XML format.

Bug fixes

  • CAS number resolution using the remote webservice works again in Java versions lower than 8 and in .NET applications such as JChem for Office.

Name to Structure 17.01.16

Improvements

  • The webservice call for CAS number resolution never uses an HTTP redirection, resulting in faster response time.

Name to Structure 16.12.26

Improvements

  • More OCR error correction is performed in alkyl ranges.

Name to Structure 16.12.05

Improvements

  • Improvements when processing names with added spaces.

Name to Structure 16.11.28

Improvements

  • Ring fusions involving multiple bonds are now supported.
  • The traditional steroid numbering of cyclopenta[a]phenanthrene is now supported in addition to the IUPAC numbering.

Name to Structure 16.11.21

Improvements

  • The numbering of complex fused ring systems is now supported.

Name to Structure 16.10.31

Improvements

  • Capital S- is now understood as sym- where appropriate.
  • Names with added space characters are better recognized.
  • More fused names are understood.

Name to Structure 16.10.24

Bug fixes

  • Metals and some other element names were imported with an unneeded zero valence property.

Name to Structure 16.10.10

Improvements

  • More disconnected structures are now supported, for instance pyridine acetate.
  • More complex ethers are now supported.

Name to Structure 16.10.03

Improvements

  • Non-strictly IUPAC forms of Hantzsch-Widman names are now recognized.

Bug fixes

  • Names separated by ';' were not detected from arbitrary text formats. This affected in particular JChem for Excel.
  • Some salts and esters were not recognized.

Name to Structure 16.09.26

Improvements

  • The N^{...} syntax for superscript locants is now supported.
  • More OCR errors are corrected.

Name to Structure 16.09.12

Bug fixes

  • Some names with multiplied suffixes were not converted.

Name to Structure 16.09.05

Improvements

  • The common name dictionary received a significant update.

Name to Structure 16.08.22

Improvements

  • The homology group heterocycloalkyl is now supported.

Bug fixes

  • Some names containing bond modifiers with non-consecutive locants were not supported, for instance: 1,3,5(10)-Estratriene.

Name to Structure 16.08.08

Improvements

  • The iso form of chains, such as isodecyl, is now better supported.

Name to Structure 16.08.01

Bug fixes

  • Some element names were wrongly detected and represented as structures.
  • Some names containing "ano" lead to corrupt structures.

Name to Structure 16.07.11

Improvements

  • Higher order fusions with omitted primed locants are now supported.

Name to Structure 16.07.04

Improvements

  • Fused ring systems with higher-order attached components are now supported.

Name to Structure 16.06.27

Improvements

  • Fused ring systems with multiple first-order attached components are now supported.

Bug fixes

  • "Fatty acid" had an overly broad representation.

Name to Structure 16.06.20

Improvements

  • HTTP proxy configuration is now described in the logging system and in the stack trace when an HTTP connection fails. This is useful in particular when investigating why a CAS number resolution failed.

Bug fixes

  • Some incomplete names used to be converted to impossible aromatic structures.

Name to Structure 16.05.23

Bug fixes

  • The webservice call for CAS number resolution was using an HTTP redirection, resulting in slower response time.

Name to Structure 16.05.16

Bug fixes

  • The conversion of Japanese element names was enabled by disabling common name conversion.

Name to Structure 16.03.14

Bug fixes

  • Some group types (for example ethoxy, propargyl, C1-C8-alkoxycarbonyl, ...) that were generated as complete structures are now generated with an attachment point.

Name to Structure 16.02.15

Bug fixes

  • Names containing a substituent to a formohydrazido group were not converted.

Name to Structure 16.02.01

Improvements

  • The support for Japanese chemical names found in Japanese legal documents has been vastly improved.

Bug fixes

  • Some syntaxes for benzofused ring systems were not supported.

Name to Structure 16.01.18

Improvements

  • The support for functional groups containing Selenium and Tellurium atoms has been improved.
  • Chain ester names used as substituents are now recognized.

Name to Structure 16.01.11

Improvements

  • All locants are now supported in tryptamine.

Name to Structure 15.12.14

Improvements

  • Support has been added for more cases of accidental spaces in name (often caused by OCR), such as "m ethyl".
  • Support has been improved for parent names starting with a symbol, such as s- and as-indacene.

Name to Structure 15.11.23

Improvements

  • Additional OCR error correction allows to convert more names from scanned documents and patents.
  • Spiro names that mistakenly lack a prime on the second spiro atom locant are now automatically fixed.
  • The accuracy in the conversion of Chinese names to structures is improved.

Name to Structure 15.11.16

Bug fixes

  • The numbering of flavanone has been fixed.

Name to Structure 15.10.05

Improvements

  • Multiple custom dictionaries can be specified using the 'dict' format option: dict=<dictionary_path_1>;<dictionary_path_2>

Name to Structure 15.08.31

Bug fixes

  • The 'systematic' name format option does not disable the conversion of other name types anymore.

Name to Structure 15.08.24

Improvements

  • Names containing the keyword "substituted" are now supported, for instance: "2,4-disubstituted pyridine".

Name to Structure 15.08.17

Improvements

  • More syntaxes for carbon count in homology groups are recognized, for instance "(C1-6) alkyl".

Name to Structure 15.07.20

Improvements

  • The "Heterocyclyl" homology group is now supported.
  • Fix new OCR error in Japanese.

Name to Structure 15.05.25

Bug fixes

  • CAS Registry Numbers can now be converted when entered with extra whitespace before or after the number. This is especially useful when using copy-paste in end-user applications.

Name to Structure 15.05.04

Improvements

  • Several improvements increase the conversion of systematic names.
  • Names with small typographical errors, such as added spaces or missing dashes, are better supported. This especially improves the extraction of names from lower quality sources, such as patent texts generated by OCR.

Bug fixes

  • Esters of nitric acid were imported with a radical instead of the C-O bond.

Name to Structure 15.04.20

Improvements

  • Some additional OCR error correction is performed in Chinese.

Name to Structure 15.04.06

Bug fixes

  • Some lists of names improperly separated lead to extremely long processing time.
  • β-alanine wrongly had a chiral stereocenter.

Name to Structure 15.03.02

Improvements

  • The file size of the naming component has been reduced by 10%, leading to reduced startup time in the applet.

Name to Structure 15.02.16

Bug fixes

  • Japanese names with fullwidth full stop characters were not supported.

Name to Structure 15.02.09

Bug fixes

  • Some E/Z and R/S stereodescriptors were not honored correctly.

Name to Structure 15.01.19

Improvements

  • Some more rarer acids are now supported, including those based on an Antimony atom.

Bug fixes

  • Names containing the "sulfonato" prefix were converted incorrectly.

Name to Structure 15.01.05

Bug fixes

  • Japanese names containing the '=' separator character (for instance in esters) were not supported.

Name to Structure 14.12.08

Improvements

  • Support was added for acetimidamides and the imidamido suffix.

Name to Structure 14.10.27

Improvements

  • Failures from a custom naming webservice are now reported as an exception, to make it easier to solve misconfiguration of the service.

Name to Structure 14.10.20

Improvements

  • Conversion of systematic names is improved by supporting more functional groups.

Name to Structure 14.10.13

Improvements

  • Added support for the olato suffix in inorganic nomenclature.

Name to Structure 14.09.29

Improvements

  • Parent homology groups such as alkyl or hydroxyalkyl are now generated with an attachment point.

Name to Structure 14.09.15

Improvements

  • Custom name to structure webservice and CAS number resolution now try to use the system HTTP proxies, when available.

September 8th, 2014: Name to Structure 14.09.08

New Features and Improvements

  • Naming webservice URLs can now contain a [DOMAIN] parameter that get replaced by the Windows domain name of the machine, or by the network domain name on non-Windows computers. This information can be used by the webservice, for instance for simple access control or user-based customization of the result.

Bug Fixes

  • Japanese and Chinese names with full-width curly braces were not supported.

August 18th, 2014: Name to Structure 14.8.18

New Features and Improvements

  • Corporate IDs (registry numbers) can be converted using the API and class chemaxon.naming.n2s.DatabaseNameConverter.

August 4th, 2014: Name to Structure 14.8.4

New Features and Improvements

  • Support for organo-metallic names was extended.
  • Support for CAS names was improved.

July 14th, 2014: Name to Structure 14.7.28

New Features and Improvements

  • Halonium ions are imported correctly.
  • Substituted ferrocene and analogues are now supported.

Bug Fixes

  • CAS number conversion and naming webservice calls could run for a long time or even not return if the webservice was not responsive.

July 14th, 2014: Name to Structure 14.7.14

New Features and Improvements

  • OCR error correction is improved.
  • Lowercase d- and l- stereo-descriptors are now interpreted as D- and L-, since names are sometimes (wrongly) converted to all lowercase. This is correct most of the time since the old usage of d- and l- for optical activity (dextrorotatory and levorotatory) is out of use and replaced by (+) and (-).

July 7th, 2014: Name to Structure 14.7.7

New Features and Improvements

  • Names with (r) and (s) pseudo-asymmetric stereo centers are now fully supported.
  • Chinese name to structure coverage was improved by about 3 percentage points.
  • Additional OCR error correction is performed.

Bug Fixes

  • Some names designating multiplied fused systems failed to be converted.
  • Some names referring to the locant of spiro atoms were failing to be converted to structure or were missing stereochemistry on those atoms.
  • Some partially saturated polyacenes and polyaphenes were not supported.
  • Some Chinese and Japanese chemical names with punctuation characters were were not supported by the automatic format recognizer.
  • Double bonds in large rings that are part of fused systems had unknown stereochemistry. They now have cis stereochemistry.

June 4th, 2014: Name to Structure 6.3.1

Bug Fixes

  • Some substituents separated by a space from an acid parent were wrongly interpreted as esters.
  • The naming webservice was not working in the applet.
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